2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one

C25H30N4O3 — CID 91921151

IUPAC2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccncc3)CC2)cn1
InChIInChI=1S/C25H30N4O3/c1-32-21-6-5-19(17-27-21)23(30)28-15-9-20(10-16-28)29-22(18-7-13-26-14-8-18)25(24(29)31)11-3-2-4-12-25/h5-8,13-14,17,20,22H,2-4,9-12,15-16H2,1H3
InChIKeyHNIBYBRXDNVPAH-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.62
Rot. Bonds4

About 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one

2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one (PubChem CID 91921151) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
PubChem CID91921151
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccncc3)CC2)cn1
InChIInChI=1S/C25H30N4O3/c1-32-21-6-5-19(17-27-21)23(30)28-15-9-20(10-16-28)29-22(18-7-13-26-14-8-18)25(24(29)31)11-3-2-4-12-25/h5-8,13-14,17,20,22H,2-4,9-12,15-16H2,1H3
InChIKeyHNIBYBRXDNVPAH-UHFFFAOYSA-N
XLogP3.62
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-hydroxyazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 124757534
2-[1-(1H-imidazole-5-carbonyl)piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072045
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
[(3R)-3-aminopyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493227
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 96500930
2-[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one
CID 91921156
(6-methoxy-3-pyridinyl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 46975635
[4-(3-fluoro-4-pyridinyl)-1,4-diazepan-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 138385685
(5S)-2-(6-methoxypyridine-3-carbonyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195142
[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129367707
[(3S)-3-aminopiperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 129493895

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one (CID 91921151) is 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one is COc1ccc(C(=O)N2CCC(N3C(=O)C4(CCCCC4)C3c3ccncc3)CC2)cn1.
What is the InChIKey of 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one?
The InChIKey is HNIBYBRXDNVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-32-21-6-5-19(17-27-21)23(30)28-15-9-20(10-16-28)29-22(18-7-13-26-14-8-18)25(24(29)31)11-3-2-4-12-25/h5-8,13-14,17,20,22H,2-4,9-12,15-16H2,1H3.
What are the key properties of 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one?
2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one has a molecular weight of 434.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-pyridin-4-yl-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 91921151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).